|
|
e98af88242
|
Clean up unnecessary code.
|
2022-07-01 20:56:11 -06:00 |
|
|
|
dc1b7ba0a4
|
Parallelization and ij pair collapse.
|
2022-07-01 15:37:00 -06:00 |
|
|
|
2f1d320510
|
Cleaned up baseline code, prior to parallelization
|
2022-06-24 17:02:12 -06:00 |
|
|
|
14d472d691
|
First 3 columns are reference forces and indices, instead of last 3 columns.
|
2022-06-23 16:30:53 -06:00 |
|
|
|
7c44eac0a6
|
Added more to README and obtain MPI settings from lammps Python module
|
2022-06-23 11:43:14 -06:00 |
|
|
|
2396c16026
|
Update example and docs.
|
2022-06-22 09:32:41 -06:00 |
|
|
|
effae2c01a
|
Added compute snap descriptor gradient example.
|
2022-06-17 12:05:05 -06:00 |
|